2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]ethyl 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]ethyl 2,4,6-trimethylbenzenesulfonate Openeye Name: 2-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidyl]ethyl 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid 2-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinyl]ethyl ester IUPAC Name: 2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]ethyl 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid 2-(1-mesitylsulfonyl-4-piperidyl)ethyl ester Formula: C25H35NO5S2 MolecularWeight: 493.6791

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)CCOS(=O)(=O)C3=C(C=C(C=C3C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)CCOS(=O)(=O)C3=C(C=C(C=C3C)C)C)C

InChI

InChI=1S/C25H35NO5S2/c1-17-13-19(3)24(20(4)14-17)32(27,28)26-10-7-23(8-11-26)9-12-31-33(29,30)25-21(5)15-18(2)16-22(25)6/h13-16,23H,7-12H2,1-6H3